5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

C16H16N6O2 — CID 177283419

IUPAC5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2cnn(C)c2)nc(C(N)=O)c1N
InChIInChI=1S/C16H16N6O2/c1-8-3-4-10(23)5-11(8)13-12(17)14(15(18)24)21-16(20-13)9-6-19-22(2)7-9/h3-7,23H,17H2,1-2H3,(H2,18,24)
InChIKeyCBXZMYLZUIAULH-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 177283419) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
PubChem CID177283419
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2cnn(C)c2)nc(C(N)=O)c1N
InChIInChI=1S/C16H16N6O2/c1-8-3-4-10(23)5-11(8)13-12(17)14(15(18)24)21-16(20-13)9-6-19-22(2)7-9/h3-7,23H,17H2,1-2H3,(H2,18,24)
InChIKeyCBXZMYLZUIAULH-UHFFFAOYSA-N
XLogP1.24
TPSA132.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 136240286
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 73053872
[5-(4-Hydroxyphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 137653907
5-Amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 170346746
5-Amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283549
5-Amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283560
5-Amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283593
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 177283637
2-[4-[[4-(3-Fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide
CID 137069274
6-[4-(Difluoroamino)oxyphenyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 169870615
5-Amino-2-[2-(2,2-difluoroethylamino)-5-fluoro-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 170346611
5-Amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 175958735

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (CID 177283419) is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2cnn(C)c2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is CBXZMYLZUIAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-8-3-4-10(23)5-11(8)13-12(17)14(15(18)24)21-16(20-13)9-6-19-22(2)7-9/h3-7,23H,17H2,1-2H3,(H2,18,24).
What are the key properties of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).